EGF-05686 Red
COc1cc2nc(N3CCN(c4cccc(Cl)c4)CC3)nc(-c3ccc(Cl)cc3)c2cc1OC
0.277
Platform Score
2D Structure
C26H24Cl2N4O2 | Exact mass: 494.1276
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
51
TPSA
495
MW
0
HBD
6.0
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (PDB: 1M17) |
| Selective | No |
Selectivity Profile
ADMET Profile
| BBB (BOILED-Egg) | BBB- (non-penetrant) |
| ADMET Status | Pass (no hard fails) |
CNS Drug-Likeness
Physicochemical Properties
| Molecular Weight | 495.40 Da |
| TPSA | 50.7 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.95 |
| Fsp3 | 0.231 |
| Rotatable Bonds | 5 |
| Rings | 5 (4 aromatic) |
| QED | 0.341 |
| SA Score | 2.25 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H24Cl2N4O2 |
| Exact Mass | 494.1276 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |